CID 2817968

Maybridge4_001792

Structural Information

Molecular Formula

C₁₅H₁₀N₂O

SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H

InChIKey

NCTFUSHEDTZFOU-UHFFFAOYSA-N

Compound name

pyridin-2-yl(quinolin-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 234.07932 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.086596	151.1
[M+Na]+	257.068538	159.6
[M-H]-	233.072044	155.9
[M+NH4]+	252.113143	166.6
[M+K]+	273.042478	154.6
[M+H-H2O]+	217.076580	141.7
[M+HCOO]-	279.077521	171.6
[M+CH3COO]-	293.093171	163.2
[M+Na-2H]-	255.053986	160.1
[M]+	234.07877142	150.6
[M]-	234.07986858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe